3-Ethyl-3-oxetanemethanol supplier

Name
3-ETHYL-3-OXETANEMETHANOL
EINECS 221-254-0
CAS No. 3047-32-3
Article Data13
CAS DataBase
Density 0.996 g/cm³
Solubility Miscible in water.
Melting Point
Formula C₆H₁₂O₂
Boiling Point 203 °C at 760 mmHg
Molecular Weight 116.16
Flash Point 86.5 °C
Transport Information
Appearance clear colorless liquid
Safety 37/39-26
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn
Synonyms (3-Ethyloxetan-3-yl)methanol;3-Ethyl-3-(hydroxymethyl)oxacyclobutane;3-Ethyl-3-(hydroxymethyl)oxetane;3-Ethyl-3-methyloloxetane;3-Hydroxymethyl-3-ethyloxetane;Aron Oxetane OXT 101;Cyracure UVR 6000;EOXA;Eternacoll EHO;OXA (oxetane);OXT 101;UVR 6000;
PSA 29.46000
LogP 0.40530

Synthetic route

: 77-99-6
1,1,1-tri(hydroxymethyl)propane

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With potassium carbonate; Diethyl carbonate at 110℃;	72%
With potassium hydroxide; Diethyl carbonate In ethanol for 2h; Reflux;	64.7%

: 77-99-6
1,1,1-tri(hydroxymethyl)propane

: 105-58-8
Diethyl carbonate

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With potassium hydroxide at 180℃; unter vermindertem Druck;
With potassium hydroxide
With potassium carbonate

: 77-99-6
1,1,1-tri(hydroxymethyl)propane

: 105-58-8
Diethyl carbonate

ethanolic KOH-solution: ethanolic KOH-solution

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
Erhitzen des Reaktionsprodukts auf Temperaturen oberhalb von 180grad;

...Expand

: 77-99-6
1,1,1-tri(hydroxymethyl)propane

: 105-58-8
Diethyl carbonate

A: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

B: trimethylolpropane cyclic monocarbonate

Conditions

Conditions	Yield
Stage #1: 1,1,1-tri(hydroxymethyl)propane; Diethyl carbonate With potassium hydroxide at 120℃; Stage #2: at 250℃; under 6.00048 Torr; Title compound not separated from byproducts;

...Expand

: 77-99-6
1,1,1-tri(hydroxymethyl)propane

: 616-38-6
carbonic acid dimethyl ester

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With potassium hydroxide

: 503-30-0
trimethylene oxide

: 124-38-9
carbon dioxide

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With bis(acetylacetonate)oxovanadium; tetrabutylammomium bromide In toluene at 60℃; under 26252.6 Torr; for 8h; Autoclave; Cooling with ice; chemoselective reaction;

: 77-99-6
1,1,1-tri(hydroxymethyl)propane

A: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

B: 65282-19-1
3,9-diethyl-3,9-dihydroxymethyl-1,5,7,11-tetraoxaspiro[5,5]undecane

C: 23235-61-2
3,3,7,7-tetra(hydroxymethyl)-5-oxanonane

Conditions

Conditions	Yield
Stage #1: 1,1,1-tri(hydroxymethyl)propane With urea In water at 100 - 150℃; under 300 - 600 Torr; Alkaline conditions; Large scale; Stage #2: In water at 100 - 195℃; under 45 Torr; Pyrolysis; Large scale;

...Expand

: 77-99-6
1,1,1-tri(hydroxymethyl)propane

A: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

B: 65282-19-1
3,9-diethyl-3,9-dihydroxymethyl-1,5,7,11-tetraoxaspiro[5,5]undecane

Conditions

Conditions	Yield
Stage #1: 1,1,1-tri(hydroxymethyl)propane With zinc diacetate; urea; potassium hydroxide at 140℃; under 300 Torr; Stage #2: at 195 - 215℃; under 10 - 50 Torr; Pyrolysis;	A 42 %Spectr. B 18 %Spectr.

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 124-63-0
methanesulfonyl chloride

: 3893-75-2
(3-ethyl-3-oxetanyl)methyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 25℃; for 2h; Product distribution / selectivity; Inert atmosphere;	99%
With triethylamine In toluene at 5 - 20℃; for 6h;	95%
With triethylamine In dichloromethane at 0 - 20℃; for 2h; Concentration; Temperature;	93%
With triethylamine
With triethylamine In diethyl ether for 1h;

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 292638-85-8
acrylic acid methyl ester

: 41988-14-1
3-ethyl-3-(acryloyloxymethyl)oxetane

Conditions

Conditions	Yield
With mesoporous silica gel supported organotin catalyst for 6h; Reflux;	98.5%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 98-59-9
p-toluenesulfonyl chloride

: 237403-65-5
(3-ethyloxetan-3-yl)methyl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
Stage #1: p-toluenesulfonyl chloride With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In water; toluene at 5℃; Stage #2: 3-ethyl-3-(hydroxymethyl)oxetane In water; toluene at 10 - 20℃; for 6h;	95%
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 4h; Inert atmosphere;	91%
With sodium hydroxide; tetramethylammonium bromide In water; toluene at 5 - 20℃; for 17.5h;	90%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 3233-92-9
9,10-epoxy-18-hydroxyoctadecanoic acid

: 627-93-0
hexanedioic acid dimethyl ester

A: C72H126O15

B: C126H222O24

Conditions

Conditions	Yield
With Candida antarctica lipase B at 85℃; for 2h; Enzymatic reaction;	A 94% B 65%

...Expand

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 3-ethyl-3-[(allyloxy)methyl]oxetane

Conditions

Conditions	Yield
With potassium hydroxide In tetrabutylammomium bromide; water; allyl bromide	92%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

polymer, Mn 5078 Da, PDI 1.60, degree of branching 42 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane: polymer, Mn 5078 Da, PDI 1.60, degree of branching 42 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at 30℃; for 48h;	91%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: C48H48Cl4F12O4

: C72H92F12O12

Conditions

Conditions	Yield
Stage #1: 3-ethyl-3-(hydroxymethyl)oxetane With sodium hydride In hexane; mineral oil at 20℃; for 1h; Inert atmosphere; Stage #2: C48H48Cl4F12O4 In hexane; N,N-dimethyl-formamide; mineral oil at 50℃; for 4h;	90.3%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 32321-45-2
2-(bromomethyl)-2-ethyl-1,3-propanediol

Conditions

Conditions	Yield
With hydrogen bromide In tetrahydrofuran; water at 25℃; for 5h;	90%
With hydrogen bromide In tetrahydrofuran; water at 0 - 20℃;	81%
With hydrogen bromide

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

polymer, Mn 4731 Da, PDI 1.61, degree of branching 36 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane: polymer, Mn 4731 Da, PDI 1.61, degree of branching 36 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at 0℃; for 48h;	90%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

polymer, Mn 5374 Da, PDI 1.42, degree of branching 41 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane: polymer, Mn 5374 Da, PDI 1.42, degree of branching 41 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 48h;	90%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 107-19-7
propargyl alcohol

: C158H314O53

Conditions

Conditions	Yield
Stage #1: propargyl alcohol With boron trifluoride diethyl etherate In dichloromethane at 35℃; Inert atmosphere; Stage #2: 3-ethyl-3-(hydroxymethyl)oxetane In dichloromethane for 24h; Inert atmosphere;	90%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 16081-43-9
2-(chloromethyl)-2-ethyl-1,3-propanediol

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; water at 0 - 20℃;	89%
With hydrogenchloride
With hydrogenchloride In chloroform

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

polymer, Mn 4890 Da, PDI 1.54, degree of branching 15 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane: polymer, Mn 4890 Da, PDI 1.54, degree of branching 15 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -30℃; for 48h;	89%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

polymer, Mn 5266 Da, PDI 1.45, degree of branching 39 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane: polymer, Mn 5266 Da, PDI 1.45, degree of branching 39 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at 10℃; for 48h;	87%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

polymer, Mn 5412 Da, PDI 1.46, degree of branching 31 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane: polymer, Mn 5412 Da, PDI 1.46, degree of branching 31 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -10℃; for 48h;	86%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 28562-61-0
3-ethyloxetane-3-carboxylic acid

Conditions

Conditions	Yield
With Jones reagent In acetone at -5 - 25℃; for 6h;	86%
With Jones reagent In acetone at 0 - 20℃; for 6h;	50.4%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 392-56-3
Hexafluorobenzene

: 3-ethyl-3-(2,3,4,5,6-pentafluorophenoxymethyl)oxetan

Conditions

Conditions	Yield
With potassium hydride In toluene at 20℃; for 22h; Inert atmosphere; Cooling with ice;	86%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 1493-11-4
trifluoromethanol

: 80979-93-7
1,3-dimethylperfluorobenzene

: C15H17F5O3

Conditions

Conditions	Yield
Stage #1: 3-ethyl-3-(hydroxymethyl)oxetane; 2,4,5,6-tetrafluoro-m-xylene With potassium hydride In tetrahydrofuran at 20℃; for 22h; Inert atmosphere; Cooling with ice; Stage #2: trifluoromethanol With potassium hydride In tetrahydrofuran at 20℃; for 20h;	86%

...Expand

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: C19H19BrCl2

: C31H41BrO4

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 24h; Inert atmosphere;	86%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: C19H19BrCl2

: C31H41BrO4

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 24h; Inert atmosphere;	86%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

polymer, Mn 5243 Da, PDI 1.38, degree of branching 22 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane: polymer, Mn 5243 Da, PDI 1.38, degree of branching 22 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -20℃; for 48h;	85%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

polymer, Mn 5425 Da, PDI 1.33, degree of branching 9 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane: polymer, Mn 5425 Da, PDI 1.33, degree of branching 9 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -50℃; for 48h;	84%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 2,2,3,3,4,4,4-heptafluorobutoxypentafluorobenzene

: C16H13F11O3

Conditions

Conditions	Yield
With potassium hydride In toluene at 20℃; for 20h; Inert atmosphere; Cooling with ice;	84%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

polymer, Mn 4987 Da, PDI 1.57, degree of branching 11 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane: polymer, Mn 4987 Da, PDI 1.57, degree of branching 11 percent; monomer(s): 3-ethyl-3-(hydroxymethyl)oxetane

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -40℃; for 48h;	83%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 98485-37-1
3-ethyloxetane-3-carbaldehyde

Conditions

Conditions	Yield
With pyridinium chlorochromate In dichloromethane at 20℃; for 5h;	82.3%
With oxalyl dichloride; dimethyl sulfoxide; triethylamine 1.) CH2Cl2, 2.) CH2Cl2; Multistep reaction;

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 106-89-8
epichlorohydrin

: 15957-34-3
3-ethyl-3-[(ethylene oxide)(methoxy)methyl]oxetane

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate for 5.5h;	82%
With sodium hydroxide at 0 - 50℃; for 15h;	72%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 106-95-6
allyl bromide

: 3-ethyl-3-[(allyloxy)methyl]oxetane

Conditions

Conditions	Yield
Stage #1: 3-ethyl-3-(hydroxymethyl)oxetane With sodium hydride In dichloromethane at 0℃; Stage #2: allyl bromide In dichloromethane at 20℃; for 24h;	81%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 110-17-8
(2E)-but-2-enedioic acid

: bis(3-ethyl-3-hydroxymethyloxetane)fumarate

Conditions

Conditions	Yield
Stage #1: (2E)-but-2-enedioic acid With thionyl chloride at 70℃; for 5h; Stage #2: 3-ethyl-3-(hydroxymethyl)oxetane at 20℃; for 10h;	81%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 934-30-5, 1195-12-6, 20507-53-3, 58001-99-3, 67999-50-2, 67999-53-5, 74645-32-2, 108266-75-7, 120-74-1
5-norbornene-endo-2-carboxylic acid

: 3-ethyl-3-(5-norbornene-2-carbonyloxymethyl)-1-oxetane

Conditions

Conditions	Yield
Stage #1: 5-norbornene-endo-2-carboxylic acid With thionyl chloride at 75℃; for 6h; Stage #2: 3-ethyl-3-(hydroxymethyl)oxetane With triethylamine In dichloromethane at 20℃; for 12h; Temperature; Inert atmosphere;	81%

: 3047-32-3
3-ethyl-3-(hydroxymethyl)oxetane

: 53624-84-3
3-methyl-bicyclo<2,2,1>-5-hepten-2-carboxylic acid

: 5-norbornene-3-methyl-2-carboxylic acid glycidyl ester

Conditions

Conditions	Yield
Stage #1: 3-methyl-bicyclo<2,2,1>-5-hepten-2-carboxylic acid With oxalyl dichloride at 80℃; for 4h; Stage #2: 3-ethyl-3-(hydroxymethyl)oxetane With triethylamine In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;	81%

3-Ethyl-3-oxetanemethanol Specification

The 3-Ethyl-3-oxetanemethanol, with CAS registry number 3047-32-3, belongs to the following product categories: (1)Oxetanes; (2)Simple 4-Membered Ring Compounds; (3)Alcohols; (4)C2 to C6; (5)Oxygen Compounds. Its systematic name and its IUPAC name are the same, which is (3-ethyloxetan-3-yl)methanol. This chemical should be stored in cool, dry place.

Physical properties of 3-Ethyl-3-oxetanemethanol: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.48; (8)ACD/KOC (pH 7.4): 21.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 30.9 cm³; (15)Molar Volume: 116.5 cm³; (16)Polarizability: 12.25×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Enthalpy of Vaporization: 51.1 kJ/mol; (19)Vapour Pressure: 0.0689 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-Ethyl-3-oxetanemethanol irritates to eyes, respiratory system and skin. And it is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC1(CC)COC1
(2)InChI: InChI=1/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3
(3)InChIKey: UNMJLQGKEDTEKJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3
(5)Std. InChIKey: UNMJLQGKEDTEKJ-UHFFFAOYSA-N

Product Name

3-ETHYL-3-OXETANEMETHANOL

Synthetic route

3-Ethyl-3-oxetanemethanol Specification

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